| SpectraBase Compound ID | GduIUmsAHGP |
|---|---|
| InChI | InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20?,21?,22-,23?,25?,26?,27?,28-/m0/s1 |
| InChIKey | LCJFMPREOGABOY-QSFNYABKSA-N |
| Mol Weight | 474.6 g/mol |
| Molecular Formula | C28H42O6 |
| Exact Mass | 474.298139 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KYHbXkkyZqS |
|---|---|
| Name | (20S)-3.alpha.,7.beta.-Diacetoxy-5.beta.-cholan-O-24,20-latone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O6 |
| InChI | InChI=1S/C28H42O6/c1-16(29)32-19-8-11-26(3)18(14-19)15-22(33-17(2)30)25-20-6-7-23(27(20,4)12-9-21(25)26)28(5)13-10-24(31)34-28/h18-23,25H,6-15H2,1-5H3/t18-,19+,20?,21?,22-,23?,25?,26?,27?,28-/m0/s1 |
| InChIKey | LCJFMPREOGABOY-QSFNYABKSA-N |
| Molecular Weight | 474.638 g/mol |
| SMILES | C12(C(C3[C@](C[C@]4(C(C3CC2)(CC[C@@](OC(=O)C)(C4)[H])C)[H])(OC(=O)C)[H])CCC1[C@]1(OC(=O)CC1)C)C |
| SPLASH | splash10-0h00-0093000000-ffb765d0d32990757d1c |
| Source of Spectrum | K-2001-2233-18 |
| Wiley ID | 1579700 |